1. Experimental and theoretical study on cation-π interaction of Ag with [6]helicene.
- Author
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Makrlík, Emanuel, Jaklová Dytrtová, Jana, Vaňura, Petr, Císařová, Ivana, Sýkora, Jan, Církva, Vladimír, Storch, Jan, and Polášek, Miroslav
- Subjects
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ELECTROSPRAY ionization mass spectrometry , *SILVER compounds , *CHEMICAL synthesis , *QUANTUM mechanics , *DENSITY functional theory , *CATIONS synthesis - Abstract
By employing electrospray ionization mass spectrometry, it was proven experimentally that the [6]helicene-Ag complex (i.e., [Ag(CH)]) exists in the gas phase. Further, applying quantum mechanical DFT calculations, the most probable structure of this cationic complex [Ag(CH)] was derived. Finally, in the solid state, the complex [6]helicene-silver triflate-monohydrate (i.e., CH-AgCFSO-HO), crystallizing in the monoclinic system with the centro-symmetric P2/ c space group, was prepared and analyzed. The characteristic feature of this complex packing in the solid state is the formation of the separated [6]helicene and silver triflate domains. In both of these binding modes, the investigated [6]helicene ligand functions as a molecular tweezer for the univalent silver cation. Graphical abstract: [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]
- Published
- 2016
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